# +-----------------------------+ #
# |         INCAR CeO2          | #
# | Startparameter for this run | #
# +-----------------------------+ #

SYSTEM = CeO2-9L-331
ISTART = 1
ISPIN  = 1
GGA    = PE

# ==> Electronic Relaxation <== #
ENCUT  = 500
EDIFF  = 1E-6
EDIFFG = -0.015
LREAL  = Auto
NELM   = 250

LMAXMIX= 6 #parameters recommended by VASP
INIMIX = 0
AMIX   = 0.2
BMIX   = 0.0001
AMIX_MAG= 0.8
BMIX_MAG= 0.0001

# ==> Ionic Relaxation <== #
NSW    = 400
IBRION = 2
POTIM  = 0.1

# ==> DOS related values <== #
ISMEAR = 0 
SIGMA  = 0.05

# ==> Other Parameters <== #
LASPH  = .TRUE.
LDAU   = .TRUE.
LDAUL  = 3 -1
LDAUU  = 5.5 0.0
LDAUJ  = 1.0 0.0
NPAR   = 2

LDIPOL = .TRUE.
IDIPOL = 3